(2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid

C10H12FNO2 — CID 54562457

IUPAC(2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid
SMILESCN[C@@H](Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C10H12FNO2/c1-12-9(10(13)14)6-7-3-2-4-8(11)5-7/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyZRMVYUADMZBKGO-VIFPVBQESA-N
MW197.21 g/mol
LogP1.04
Rot. Bonds4

About (2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid

(2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid (PubChem CID 54562457) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is (2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid
PubChem CID54562457
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name(2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid
SMILESCN[C@@H](Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C10H12FNO2/c1-12-9(10(13)14)6-7-3-2-4-8(11)5-7/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyZRMVYUADMZBKGO-VIFPVBQESA-N
XLogP1.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid?
The IUPAC name of (2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid (CID 54562457) is (2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid.
What is the SMILES notation for (2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid?
The canonical SMILES for (2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid is CN[C@@H](Cc1cccc(F)c1)C(=O)O.
What is the InChIKey of (2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid?
The InChIKey is ZRMVYUADMZBKGO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12FNO2/c1-12-9(10(13)14)6-7-3-2-4-8(11)5-7/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid?
(2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid has a molecular weight of 197.21 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid is sourced from PubChem (CID 54562457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).